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Substance Name: Pyridoxine 5-thioacetate
RN: 21907-94-8
InChIKey: RYECBGOLQYHLED-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H13-N-O3-S

Molecular Weight

  • 227.283
 
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Names and Synonyms

Results Name

  • Pyridoxine 5-thioacetate

Synonyms

  • 2-Methyl-3-hydroxy-4-hydroxymethyl-5-acetylmercaptomethyl-pyridin
  • 2-Methyl-3-hydroxy-4-hydroxymethyl-5-acetylmercaptomethyl-pyridin [German]
  • 4-Pyridinemethanol, 3-hydroxy-5-(mercaptomethyl)-2-methyl-, S-acetate (6CI)
  • 4-Pyridinemethanol, 5-acetylthiomethyl-3-hydroxy-2-methyl-
  • 5-21-05-00502 (Beilstein Handbook Reference)
  • 5-Mercapto-pyridoxin-thioacetat
  • 5-Mercapto-pyridoxin-thioacetat [German]
  • BRN 1535075
  • Pyridoxine 5-thioacetate

Systematic Names

  • Acetic acid, thio-, S-((3-hydroxy-4-(hydroxymethyl)-2-methyl-5-pyridyl)methyl) ester
  • Ethanethioic acid, S-((3-hydroxy-4-(hydroxymethyl)-2-methyl-5-pyridinyl)methyl) ester (9CI)
  • Ethanethioic acid, S-((5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl)methyl) ester (9CI)

Registry Numbers

CAS Registry Number

  • 21907-94-8

System Generated Number

  • 0021907948

Structure Descriptors

InChI

1S/C10H13NO3S/c1-6-10(14)9(4-12)8(3-11-6)5-15-7(2)13/h3,12,14H,4-5H2,1-2H3

InChIKey

RYECBGOLQYHLED-UHFFFAOYSA-N

Smiles

c1(c(CSC(C)=O)cnc(c1O)C)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 325mg/kg (325mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 238, Pg. 116, 1960.
mouse LD50 intravenous 222mg/kg (222mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 409, 1974.
mouse LD50 oral 1950mg/kg (1950mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 409, 1974.